2-[[3-[4-(2-phenoxyethyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(2-phenoxyethyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O4/c32-26(30-15-13-29(14-16-30)17-18-35-23-9-2-1-3-10-23)22-8-6-7-21(19-22)20-31-27(33)24-11-4-5-12-25(24)28(31)34/h1-12,19H,13-18,20H2